SCHEMBL28423637

SCHEMBL28423637

CCOC(=O)c1nc2ccccc2nc1Nc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
TP53 P04637 3/20 0.54
LMNA P02545 3/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 1/20 0.52
EGFR P00533 5/20 0.50
PIM1 P11309 3/20 0.50
ERBB2 P04626 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28423622 0.88 MAPT (0.67) MAPTTP53LMNATSHRMAPK1
SCHEMBL28426697 0.86 MEN1 (0.60) MAPTTP53LMNATSHRMAPK1
SCHEMBL13405543 0.84 MAPT (0.55) MAPTTP53LMNATSHRMAPK1
SCHEMBL28421857 0.82 SMN1; SMN2 (0.65) MAPTTP53L3MBTL1SMN1; SMN2POLB
SCHEMBL28419621 0.80 POLB (0.49) MAPTTP53SMN1; SMN2POLBPIM1
SCHEMBL28424900 0.80 MEN1 (0.54) MAPTTP53L3MBTL1SMN1; SMN2POLB
SCHEMBL28429344 0.79 TP53 (0.67) MAPTTP53LMNAL3MBTL1SMN1; SMN2
SCHEMBL13405572 0.76 MAPT (0.53) MAPTTP53LMNAL3MBTL1SMN1; SMN2
SCHEMBL28427773 0.75 MAPT (0.53) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL28420937 0.75 POLB (0.49) MAPTTP53LMNATSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981819-B Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2022-07-01 CN disclosed
CN-110981819-A Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2020-04-10 CN disclosed